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We present some computational simulations of graphene-based nanoribbons with a number of half-twists varying from 0 to 4 and two types of defects obtained by removing a single carbon atom from two different sites. Optimized geometries are…

Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can…

Mesoscale and Nanoscale Physics · Physics 2013-10-16 Oleg V. Yazyev

Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…

Materials Science · Physics 2015-05-19 Bhagawan Sahu , Hongki Min , Sanjay K. Banerjee

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

Mesoscale and Nanoscale Physics · Physics 2019-04-03 Z. M. Abd El-Fattah , M. A. Kher-Elden , I. Piquero-Zulaica , F. J. Garcia de Abajo , J. E. Ortega

Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: ribbons with high aspect ratio are prone to bend. The effects…

Mesoscale and Nanoscale Physics · Physics 2012-05-18 Pekka Koskinen

Bottom-up synthesis from molecular precursors is a powerful route for the creation of novel synthetic carbon-based low-dimensional materials, such as planar carbon lattices. The wealth of conceivable precursor molecules introduces a…

Materials Science · Physics 2023-10-27 Roland Gillen , Janina Maultzsch

We investigate electronic transport in lithographically patterned graphene ribbon structures where the lateral confinement of charge carriers creates an energy gap near the charge neutrality point. Individual graphene layers are contacted…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Melinda Y. Han , Barbaros Oezyilmaz , Yuanbo Zhang , Philip Kim

Seven types of armchair graphyne nanoribbons are investigated with HSE06 functional. The quantum confinements in the graphyne nanoribbons open or increase the band gaps of the corresponding two-dimensional graphynes, which is crucial to…

Materials Science · Physics 2016-05-25 Hongyu Ge , Guo Wang , Yi Liao

Strain fold-like deformations on armchair graphene nanoribbons (AGNRs) can be properly engineered in experimental setups, and could lead to a new controlling tool for gaps and transport properties. Here, we analyze the electronic properties…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 V. Torres , C. Leon , D. Faria , A. Latge

By using analytical solution of a tight-binding model for armchair nanoribbons, it is confirmed that the solution represents the standing wave formed by intervalley scattering and that pseudospin is invariant under the scattering. The phase…

Mesoscale and Nanoscale Physics · Physics 2011-04-14 K. Sasaki , K. Wakabayashi , T. Enoki

Graphene is a famous truly two-dimensional (2D) material, possessing a cone-like energy structure near the Fermi level and treated as a gapless semiconductor. Its unique properties trigger researchers to find applications of it. The gapless…

Materials Science · Physics 2024-02-22 Wei-Bang Li , Kuang-I Lin , Yu-Ming Wang , Hsien-Ching Chung , Ming-Fa Lin

Controlling the forbidden gap of graphene nano-ribbons (GNR) is a major challenge that has to be attained if this attractive material has to be used in micro- and nano-electronics. Using an unambiguous notation {m,n}-GNR, where m (n) is the…

Mesoscale and Nanoscale Physics · Physics 2016-12-21 J. A. Vergés , G. Chiappe , E. Louis

We study the electronic states of narrow graphene ribbons (``nanoribbons'') with zigzag and armchair edges. The finite width of these systems breaks the spectrum into an infinite set of bands, which we demonstrate can be quantitatively…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 L. Brey , H. A. Fertig

Graphene nanoribbons have attracted attention for their novel electronic and spin transport properties1-6, and because nanoribbons less than 10 nm wide have a band gap that can be used to make field effect transistors. However, producing…

Materials Science · Physics 2015-05-18 Liying Jiao , Xinran Wang , Georgi Diankov , Hailiang Wang , Hongjie Dai

Recently, atomically well-defined cove-shaped graphene nanoribbons have been obtained using bottom-up synthesis. These nanoribbons have an optical gap in the visible range of the spectrum which make them candidates for donor materials in…

Mesoscale and Nanoscale Physics · Physics 2014-11-18 Cesar E. P. Villegas , Pedro B. Mendonça , Alexandre Rocha

The low-energy spectrum of graphene nanoribbons with armchair edges (armchair nanoribbons) is described as the superposition of two non-equivalent Dirac points of graphene. In spite of the lack of well-separated two valley structures, the…

Mesoscale and Nanoscale Physics · Physics 2009-09-07 Masayuki Yamamoto , Yositake Takane , Katsunori Wakabayashi

We show how hydrogenation of graphene nanoribbons at small concentrations can open new venues towards carbon-based spintronics applications regardless of any especific edge termination or passivation of the nanoribbons. Density functional…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 D. Soriano , F. Muñoz-Rojas , J. Fernández-Rossier , J. J. Palacios

We consider a single layer graphene nanoribbon with armchair edges in a longitudinally constant external potential and point out that its transport properties can be described by means of an effective non-Hermitian Hamiltonian. We show that…

Mesoscale and Nanoscale Physics · Physics 2011-06-28 Maurizio Fagotti , Claudio Bonati , Demetrio Logoteta , Paolo Marconcini , Massimo Macucci

An odd number of zigzag edges in armchair graphene nanoribbons and their mechanical properties (e.g., Young's modulus, Poisson ratio and shear modulus) have potential interest for bandgap engineering in graphene based optoelectronic…

Mesoscale and Nanoscale Physics · Physics 2019-01-04 Sanjay Prabhakar , Roderick Melnik

Among their amazing properties, graphene and related low-dimensional materials show quantized charge-density fluctuations--known as plasmons--when exposed to photons or electrons of suitable energies. Graphene nanoribbons offer an enhanced…

Strongly Correlated Electrons · Physics 2016-09-14 Cristian Vacacela Gomes , Michele Pisarra , Mario Gravina , Jose M. Pitarke , Antonello Sindona